(2-aminoacetic acid);carbonic acid

C173H394N48O327 — CID 173312624

IUPAC(2-aminoacetic acid);carbonic acid
SMILESNCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/48C2H5NO2.77CH2O3/c48*3-1-2(4)5;77*2-1(3)4/h48*1,3H2,(H,4,5);77*(H2,2,3,4)
InChIKeyZAAZAXWRJSNGEK-UHFFFAOYSA-N
MW8379.06 g/mol
LogP-29.45
Rot. Bonds48

About (2-aminoacetic acid);carbonic acid

(2-aminoacetic acid);carbonic acid (PubChem CID 173312624) has the molecular formula C173H394N48O327 and a molecular weight of 8379.06 g/mol. Its IUPAC name is (2-aminoacetic acid);carbonic acid.

Molecular Properties

Compound Name(2-aminoacetic acid);carbonic acid
PubChem CID173312624
Molecular FormulaC173H394N48O327
Molecular Weight8379.06 g/mol
Exact Mass8375.57
IUPAC Name(2-aminoacetic acid);carbonic acid
SMILESNCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/48C2H5NO2.77CH2O3/c48*3-1-2(4)5;77*2-1(3)4/h48*1,3H2,(H,4,5);77*(H2,2,3,4)
InChIKeyZAAZAXWRJSNGEK-UHFFFAOYSA-N
XLogP-29.45
TPSA7469.17 Ų
H-Bond Donors250
H-Bond Acceptors173
Rotatable Bonds48
Heavy Atoms548
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5008379.06
LogP ≤ 5-29.45
H-Bond Donors ≤ 5250
H-Bond Acceptors ≤ 10173

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Related Compounds

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CID 50912486
2-aminoacetic acid;cadmium
CID 87269769
2-aminoacetic acid;iron;nickel
CID 175589238
sodium;2-aminoacetic acid;bromide
CID 174820906
2-aminoacetic acid;molecular hydrogen
CID 173030336
2-aminoacetic acid;oxocopper
CID 158791680
tetraazanium;zinc;bis(2-aminoacetic acid)
CID 72715319
2-aminoacetic acid;methane;hydrochloride
CID 174614167
2-aminoacetic acid;barium(2+);hydride
CID 173122001
CID 174491455
CID 174491455
CID 174298851
CID 174298851
2-aminoacetic acid;azane;ethene
CID 174860038

Frequently Asked Questions

What is the IUPAC name of (2-aminoacetic acid);carbonic acid?
The IUPAC name of (2-aminoacetic acid);carbonic acid (CID 173312624) is (2-aminoacetic acid);carbonic acid.
What is the SMILES notation for (2-aminoacetic acid);carbonic acid?
The canonical SMILES for (2-aminoacetic acid);carbonic acid is NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.
What is the InChIKey of (2-aminoacetic acid);carbonic acid?
The InChIKey is ZAAZAXWRJSNGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/48C2H5NO2.77CH2O3/c48*3-1-2(4)5;77*2-1(3)4/h48*1,3H2,(H,4,5);77*(H2,2,3,4).
What are the key properties of (2-aminoacetic acid);carbonic acid?
(2-aminoacetic acid);carbonic acid has a molecular weight of 8379.06 g/mol, XLogP of -29.45, 48 rotatable bonds, 250 hydrogen bond donors, and 173 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoacetic acid);carbonic acid is sourced from PubChem (CID 173312624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).